[1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine

C17H26ClN3 — CID 62262521

IUPAC[1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine
SMILESNCC1(CN2CCN(c3ccccc3Cl)CC2)CCCC1
InChIInChI=1S/C17H26ClN3/c18-15-5-1-2-6-16(15)21-11-9-20(10-12-21)14-17(13-19)7-3-4-8-17/h1-2,5-6H,3-4,7-14,19H2
InChIKeyVVYBWYAGHTZRAX-UHFFFAOYSA-N
MW307.87 g/mol
LogP2.98
Rot. Bonds4

About [1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine

[1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine (PubChem CID 62262521) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is [1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine
PubChem CID62262521
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name[1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine
SMILESNCC1(CN2CCN(c3ccccc3Cl)CC2)CCCC1
InChIInChI=1S/C17H26ClN3/c18-15-5-1-2-6-16(15)21-11-9-20(10-12-21)14-17(13-19)7-3-4-8-17/h1-2,5-6H,3-4,7-14,19H2
InChIKeyVVYBWYAGHTZRAX-UHFFFAOYSA-N
XLogP2.98
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine?
The IUPAC name of [1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine (CID 62262521) is [1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine is NCC1(CN2CCN(c3ccccc3Cl)CC2)CCCC1.
What is the InChIKey of [1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine?
The InChIKey is VVYBWYAGHTZRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c18-15-5-1-2-6-16(15)21-11-9-20(10-12-21)14-17(13-19)7-3-4-8-17/h1-2,5-6H,3-4,7-14,19H2.
What are the key properties of [1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine?
[1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine has a molecular weight of 307.87 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine is sourced from PubChem (CID 62262521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).